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Chemical ID: 4236961

Chemical ID:

4236961

Name [?]:

N-[4-(2,3-dichlorophenoxy)butyl]butan-2-amine

SMILES [?]:

CCC(C)NCCCCOc1cccc(c1Cl)Cl

InChi [?]:

InChI=1/C14H21Cl2NO/c1-3-11(2)17-9-4-5-10-18-13-8-6-7-12(15)14(13)16/h6-8,11,17H,3-5,9-10H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,4,2,7,8,13,14,12,6,9,3,15,11,16,18,17,5,10/rA:18cCCCCNCCCCOCCCCCCClCl/rB:s1;s2;s3;s3;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₁Cl₂NO
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	1

ZAP Information [?]

Total:	10.5315
Area:	514.353
Solvation:	-2.3273
Coulombic:	-18.821

Bond Count [?]

All:	18
Single:	15
Double:	3
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	290.228
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.75
LogP (Chemaxon):	4.18

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value